(1R)-1-(4-methyl-2-pyridin-4-ylpyrimidin-5-yl)-N-[(2,4,5-trimethylphenyl)methyl]ethanamine

C22H26N4 — CID 29153348

IUPAC(1R)-1-(4-methyl-2-pyridin-4-ylpyrimidin-5-yl)-N-[(2,4,5-trimethylphenyl)methyl]ethanamine
SMILESCc1cc(C)c(CN[C@H](C)c2cnc(-c3ccncc3)nc2C)cc1C
InChIInChI=1S/C22H26N4/c1-14-10-16(3)20(11-15(14)2)12-24-17(4)21-13-25-22(26-18(21)5)19-6-8-23-9-7-19/h6-11,13,17,24H,12H2,1-5H3/t17-/m1/s1
InChIKeyXWKIVFFXDMUBPM-QGZVFWFLSA-N
MW346.48 g/mol
LogP4.62
Rot. Bonds5

About (1R)-1-(4-methyl-2-pyridin-4-ylpyrimidin-5-yl)-N-[(2,4,5-trimethylphenyl)methyl]ethanamine

(1R)-1-(4-methyl-2-pyridin-4-ylpyrimidin-5-yl)-N-[(2,4,5-trimethylphenyl)methyl]ethanamine (PubChem CID 29153348) has the molecular formula C22H26N4 and a molecular weight of 346.48 g/mol. Its IUPAC name is (1R)-1-(4-methyl-2-pyridin-4-ylpyrimidin-5-yl)-N-[(2,4,5-trimethylphenyl)methyl]ethanamine.

Molecular Properties

Compound Name(1R)-1-(4-methyl-2-pyridin-4-ylpyrimidin-5-yl)-N-[(2,4,5-trimethylphenyl)methyl]ethanamine
PubChem CID29153348
Molecular FormulaC22H26N4
Molecular Weight346.48 g/mol
Exact Mass346.22
IUPAC Name(1R)-1-(4-methyl-2-pyridin-4-ylpyrimidin-5-yl)-N-[(2,4,5-trimethylphenyl)methyl]ethanamine
SMILESCc1cc(C)c(CN[C@H](C)c2cnc(-c3ccncc3)nc2C)cc1C
InChIInChI=1S/C22H26N4/c1-14-10-16(3)20(11-15(14)2)12-24-17(4)21-13-25-22(26-18(21)5)19-6-8-23-9-7-19/h6-11,13,17,24H,12H2,1-5H3/t17-/m1/s1
InChIKeyXWKIVFFXDMUBPM-QGZVFWFLSA-N
XLogP4.62
TPSA50.70 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.48
LogP ≤ 54.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (1R)-1-(4-methyl-2-pyridin-4-ylpyrimidin-5-yl)-N-[(2,4,5-trimethylphenyl)methyl]ethanamine with MolForge

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Related Compounds

N-[1-(4-methyl-2-pyridin-4-ylpyrimidin-5-yl)ethyl]propan-1-amine
CID 62771736
4-methyl-5-propan-2-yl-2-pyridin-4-ylpyrimidine
CID 130210346
1-(4-methyl-2-pyridin-4-ylpyrimidin-5-yl)-N-[(1-pyridin-3-ylpyrrol-2-yl)methyl]ethanamine
CID 45187858
2-N,2-N,6-trimethyl-4-N-[1-(4-methyl-2-pyridin-4-ylpyrimidin-5-yl)ethyl]pyrimidine-2,4-diamine
CID 70783075
6-cyclopropyl-N-[(1R)-1-(4-methyl-2-pyridin-4-ylpyrimidin-5-yl)ethyl]pyrimidin-4-amine
CID 97156382
N-[(1S)-1-(4-methyl-2-pyridin-4-ylpyrimidin-5-yl)ethyl]-3-methylsulfanylpropanamide
CID 26398298
N-[1-(4-methyl-2-pyridin-4-ylpyrimidin-5-yl)ethyl]-1-phenylmethanesulfonamide
CID 72863472
methyl 5-[[(1R)-1-(4-methyl-2-pyridin-4-ylpyrimidin-5-yl)ethyl]amino]-5-oxopentanoate
CID 42195430
2-(2-hydroxyphenoxy)-N-[(1S)-1-(4-methyl-2-pyridin-4-ylpyrimidin-5-yl)ethyl]acetamide
CID 97117814
(1R)-N-[(2,4-dimethylphenyl)methyl]-1-pyridin-4-ylethanamine
CID 28643694
5-methyl-N-[(1R)-1-(4-methyl-2-pyridin-4-ylpyrimidin-5-yl)ethyl]-1,2-oxazole-4-sulfonamide
CID 97121804
N-[(1R)-1-(4-methyl-2-pyridin-4-ylpyrimidin-5-yl)ethyl]-3-thiophen-2-ylpropanamide
CID 26322382

Frequently Asked Questions

What is the IUPAC name of (1R)-1-(4-methyl-2-pyridin-4-ylpyrimidin-5-yl)-N-[(2,4,5-trimethylphenyl)methyl]ethanamine?
The IUPAC name of (1R)-1-(4-methyl-2-pyridin-4-ylpyrimidin-5-yl)-N-[(2,4,5-trimethylphenyl)methyl]ethanamine (CID 29153348) is (1R)-1-(4-methyl-2-pyridin-4-ylpyrimidin-5-yl)-N-[(2,4,5-trimethylphenyl)methyl]ethanamine.
What is the SMILES notation for (1R)-1-(4-methyl-2-pyridin-4-ylpyrimidin-5-yl)-N-[(2,4,5-trimethylphenyl)methyl]ethanamine?
The canonical SMILES for (1R)-1-(4-methyl-2-pyridin-4-ylpyrimidin-5-yl)-N-[(2,4,5-trimethylphenyl)methyl]ethanamine is Cc1cc(C)c(CN[C@H](C)c2cnc(-c3ccncc3)nc2C)cc1C.
What is the InChIKey of (1R)-1-(4-methyl-2-pyridin-4-ylpyrimidin-5-yl)-N-[(2,4,5-trimethylphenyl)methyl]ethanamine?
The InChIKey is XWKIVFFXDMUBPM-QGZVFWFLSA-N. The full InChI is InChI=1S/C22H26N4/c1-14-10-16(3)20(11-15(14)2)12-24-17(4)21-13-25-22(26-18(21)5)19-6-8-23-9-7-19/h6-11,13,17,24H,12H2,1-5H3/t17-/m1/s1.
What are the key properties of (1R)-1-(4-methyl-2-pyridin-4-ylpyrimidin-5-yl)-N-[(2,4,5-trimethylphenyl)methyl]ethanamine?
(1R)-1-(4-methyl-2-pyridin-4-ylpyrimidin-5-yl)-N-[(2,4,5-trimethylphenyl)methyl]ethanamine has a molecular weight of 346.48 g/mol, XLogP of 4.62, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-(4-methyl-2-pyridin-4-ylpyrimidin-5-yl)-N-[(2,4,5-trimethylphenyl)methyl]ethanamine is sourced from PubChem (CID 29153348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).